2-[(6-cyclopentyloxypyridine-3-carbonyl)amino]-4-methylpentanoic acid

C17H24N2O4 — CID 120516056

IUPAC2-[(6-cyclopentyloxypyridine-3-carbonyl)amino]-4-methylpentanoic acid
SMILESCC(C)CC(NC(=O)c1ccc(OC2CCCC2)nc1)C(=O)O
InChIInChI=1S/C17H24N2O4/c1-11(2)9-14(17(21)22)19-16(20)12-7-8-15(18-10-12)23-13-5-3-4-6-13/h7-8,10-11,13-14H,3-6,9H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyIVBWPIAZWVWQHA-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.63
Rot. Bonds7

About 2-[(6-cyclopentyloxypyridine-3-carbonyl)amino]-4-methylpentanoic acid

2-[(6-cyclopentyloxypyridine-3-carbonyl)amino]-4-methylpentanoic acid (PubChem CID 120516056) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-[(6-cyclopentyloxypyridine-3-carbonyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[(6-cyclopentyloxypyridine-3-carbonyl)amino]-4-methylpentanoic acid
PubChem CID120516056
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name2-[(6-cyclopentyloxypyridine-3-carbonyl)amino]-4-methylpentanoic acid
SMILESCC(C)CC(NC(=O)c1ccc(OC2CCCC2)nc1)C(=O)O
InChIInChI=1S/C17H24N2O4/c1-11(2)9-14(17(21)22)19-16(20)12-7-8-15(18-10-12)23-13-5-3-4-6-13/h7-8,10-11,13-14H,3-6,9H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyIVBWPIAZWVWQHA-UHFFFAOYSA-N
XLogP2.63
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-cyclopentyloxypyridine-3-carbonyl)amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 120533664
(2S)-4-methyl-2-[[2-[(6-propan-2-yloxypyridine-3-carbonyl)amino]acetyl]amino]pentanoic acid
CID 120694902
2-[(6-cyclopentyloxypyridine-3-carbonyl)amino]-2-methylpropanoic acid
CID 120515882
1-[(6-cyclopentyloxypyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120515066
2-[(4-acetylbenzoyl)amino]-4-methylpentanoic acid
CID 119188047
(2S)-2-[(4-acetylbenzoyl)amino]-4-methylpentanoic acid
CID 119361717
2-[(6-propan-2-yloxypyridine-3-carbonyl)amino]butanoic acid
CID 119223780
6-cyclopentyloxy-N-[2-(dimethylamino)pyrimidin-5-yl]pyridine-3-carboxamide
CID 122298052
(2R)-4-methyl-2-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]pentanoic acid
CID 119364558
3-cyclopropyl-2-[(6-phenoxypyridine-3-carbonyl)amino]propanoic acid
CID 120535841
6-cyclopentyloxy-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyridine-3-carboxamide
CID 122298313
3-[(6-cyclopentyloxypyridine-3-carbonyl)-ethylamino]propanoic acid
CID 120516671

Frequently Asked Questions

What is the IUPAC name of 2-[(6-cyclopentyloxypyridine-3-carbonyl)amino]-4-methylpentanoic acid?
The IUPAC name of 2-[(6-cyclopentyloxypyridine-3-carbonyl)amino]-4-methylpentanoic acid (CID 120516056) is 2-[(6-cyclopentyloxypyridine-3-carbonyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 2-[(6-cyclopentyloxypyridine-3-carbonyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 2-[(6-cyclopentyloxypyridine-3-carbonyl)amino]-4-methylpentanoic acid is CC(C)CC(NC(=O)c1ccc(OC2CCCC2)nc1)C(=O)O.
What is the InChIKey of 2-[(6-cyclopentyloxypyridine-3-carbonyl)amino]-4-methylpentanoic acid?
The InChIKey is IVBWPIAZWVWQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-11(2)9-14(17(21)22)19-16(20)12-7-8-15(18-10-12)23-13-5-3-4-6-13/h7-8,10-11,13-14H,3-6,9H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of 2-[(6-cyclopentyloxypyridine-3-carbonyl)amino]-4-methylpentanoic acid?
2-[(6-cyclopentyloxypyridine-3-carbonyl)amino]-4-methylpentanoic acid has a molecular weight of 320.39 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-cyclopentyloxypyridine-3-carbonyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 120516056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).